KEGG   COMPOUND: C08565Help
Entry
C08565                      Compound                               

Name
Portulacaxanthin II
Formula
C18H18N2O7
Exact mass
374.1114
Mol weight
374.3447
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00965  Betalain biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.18.-
Brite
Phytochemical compounds [BR:br08003]
 Amino acid related compounds
  Betalains
   Betaxanthins
    C08565  Portulacaxanthin II
BRITE hierarchy
Other DBs
CAS: 135545-98-1
PubChem: 10758
ChEBI: 8341
KNApSAcK: C00001604
3DMET: B02226
NIKKAJI: J410.417J
KCF data Show

ATOM        27
            1   C2y C    27.9351  -18.6191
            2   C1x C    26.6409  -19.3070
            3   C2x C    29.1418  -19.3244
            4   C2b C    27.9410  -17.2200
            5   C1y C    26.6993  -20.7061
            6   C2y C    29.1301  -20.7294
            7   C2b C    26.7400  -16.5147
            8   N1x N    27.9117  -21.4231
            9   C6a C    25.4868  -21.3997
            10  C6a C    30.3311  -21.4407
            11  N2b N    26.7284  -15.1039
            12  O6a O    24.2858  -20.6885
            13  O6a O    25.4635  -22.8048
            14  O6a O    30.3135  -22.8455
            15  O6a O    31.5495  -20.7468
            16  C1c C    27.5505  -13.9730
            17  C1b C    26.7284  -12.8421
            18  C6a C    28.9437  -13.9730
            19  C8y C    25.3992  -13.2793
            20  O6a O    29.6373  -15.1797
            21  O6a O    29.6373  -12.7488
            22  C8x C    24.1868  -12.5739
            23  C8x C    25.3992  -14.6725
            24  C8x C    22.9801  -13.2793
            25  C8x C    24.1868  -15.3780
            26  C8y C    22.9801  -14.6842
            27  O1a O    21.7617  -15.3721
BOND        28
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     5   8 1
            8     5   9 1 #Down
            9     6  10 1
            10    7  11 2
            11    9  12 1
            12    9  13 2
            13   10  14 1
            14   10  15 2
            15   11  16 1
            16   16  17 1
            17   16  18 1 #Up
            18   17  19 1
            19   18  20 1
            20   18  21 2
            21   19  22 1
            22   19  23 2
            23   22  24 2
            24   23  25 1
            25   24  26 1
            26   26  27 1
            27    6   8 1
            28   25  26 2

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